
     RDKit          3D

 86 89  0  0  0  0  0  0  0  0999 V2000
    5.5765    5.3299   -3.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3056    3.8313   -3.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4394    3.4596   -2.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0929    3.4883   -2.7122 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228    3.1459   -1.5158 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7804    2.9306   -0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7314    2.4829    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333    0.9526    0.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    0.4747    2.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2230    0.9534    3.0678 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5175   -0.5204    2.4213 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491   -1.8193    1.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853   -2.4175    1.3683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108   -3.5359    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481   -4.3972    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9914   -3.5974   -0.0367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -4.0274    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -5.0335    0.9747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0465   -5.4549    1.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0031   -4.8938    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6652   -5.4403    0.2582 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6322   -3.8969   -0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3025   -3.4430   -0.7654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441   -2.3921   -1.7382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -2.4841   -2.9173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -1.2443   -1.3551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897   -0.7411   -2.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5525   -0.4951   -0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6700    0.5327   -0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3198    1.5496   -1.4803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750    1.3288   -2.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3274    2.2617   -3.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6265    3.4179   -3.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2747    3.6478   -2.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235    2.7196   -1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    0.1307    0.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4932    0.7549    0.0121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3640    0.1470    2.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993   -0.9784    2.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    1.4003    2.7789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4749    1.6818    2.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2230    0.9952    3.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324   -0.4287    3.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213    3.1216   -1.4624 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163    5.5842   -4.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1069    5.6328   -2.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6237    5.8981   -3.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8074    3.5359   -4.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    3.2825   -3.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107    2.8846    1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113    2.8909    1.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    0.5643    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9245    0.5552    0.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971   -2.5245    2.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2513   -1.7084    0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204   -2.8365    2.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.6191    0.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754   -4.1946    0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873   -3.0907   -0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0384   -4.8694    1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645   -5.2008   -0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0098   -5.4928    1.6492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3288   -6.2251    1.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3838   -3.4635   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9799    0.3335   -2.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2441   -1.3204   -2.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5861   -0.8395   -3.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -1.2194    0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9318    1.0611    0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5898   -0.0120   -0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2067    0.4295   -3.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5960    2.0871   -4.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3667    4.1411   -4.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7369    4.5463   -1.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518    2.9141   -0.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5325   -1.9401    2.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801   -0.9174    3.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0045   -0.9612    2.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4512    1.3987    3.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5425    2.2422    2.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9501    1.4509    1.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    2.7768    2.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899    1.6287    4.2568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5768    0.9608    4.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -1.0937    3.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637   -0.7682    4.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 28 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
  6 44  2  0
 44  3  1  0
 43 11  1  0
 23 17  1  0
 35 30  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  2 49  1  0
  7 50  1  0
  7 51  1  0
  8 52  1  0
  8 53  1  0
 12 54  1  0
 12 55  1  0
 13 56  1  0
 13 57  1  0
 14 58  1  0
 14 59  1  0
 15 60  1  0
 15 61  1  0
 18 62  1  0
 19 63  1  0
 22 64  1  0
 27 65  1  0
 27 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  0
 34 74  1  0
 35 75  1  0
 39 76  1  0
 39 77  1  0
 39 78  1  0
 40 79  1  0
 40 80  1  0
 41 81  1  0
 41 82  1  0
 42 83  1  0
 42 84  1  0
 43 85  1  0
 43 86  1  0
M  END
$$$$
